SCHEMBL8108211

SCHEMBL8108211

COc1cc(F)c(N2CCN[C@H](C)C2)cc1OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRPF1 P55201 2/20 0.43
BRD4 O60885 1/20 0.43
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.40
TLR9 Q9NR96 1/20 0.40
TLR8 Q9NR97 1/20 0.40
TLR7 Q9NYK1 1/20 0.40
HTR2C P28335 1/20 0.39
KDM4E B2RXH2 2/20 0.39
KCNH2 Q12809 2/20 0.39
POLB P06746 1/20 0.39
PRKD3 O94806 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
OPRM1 P35372 1/20 0.39
CLK2 P49760 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
GHSR Q92847 4/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8116397 0.91 MEN1 (0.39) BRPF1BRD4ALDH1A1LMNATLR9
SCHEMBL3465161 0.89 ALDH1A1 (0.48) BRPF1BRD4ALDH1A1LMNAHTR2C
SCHEMBL13682949 0.89 BRPF1 (0.42) BRPF1BRD4ALDH1A1LMNATLR9
SCHEMBL3465162 0.89 ALDH1A1 (0.48) BRPF1BRD4ALDH1A1LMNAHTR2C
Hydrochloric Acid SCHEMBL1639442 0.88 ALDH1A1 (0.50) BRPF1BRD4ALDH1A1LMNAHTR2C
Hydrochloric Acid SCHEMBL1639438 0.88 ALDH1A1 (0.50) BRPF1BRD4ALDH1A1LMNAHTR2C
SCHEMBL27660751 0.80 BRPF1 (0.46) BRPF1BRD4ALDH1A1LMNAHTR2C
SCHEMBL2249055 0.80 BIRC2 (0.46) BRPF1BRD4ALDH1A1LMNAHTR2C
SCHEMBL12182647 0.80 HTR3E (0.47) BRPF1BRD4ALDH1A1LMNAHTR2C
SCHEMBL12182691 0.80 HTR3E (0.47) BRPF1BRD4ALDH1A1LMNAHTR2C

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009001127-A1 CYANOCYCLOPROPYLCARBOXAMIDES AS CATHEPSIN INHIBITORS ASTRAZENECA AB (SE) 2008-12-31 WO disclosed